SCHEMBL4726548

SCHEMBL4726548

CCN1CCOC(c2ccc(NS(=O)(=O)c3ccc(C(C)(C)C)cc3)cc2)C1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 1/20 0.48
CRHR2 Q13324 1/20 0.48
ALDH1A1 P00352 6/20 0.47
MEN1 O00255 2/20 0.47
MAPT P10636 2/20 0.47
KMT2A Q03164 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C19 P33261 1/20 0.47
UQCRB P14927 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
LMNA P02545 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
POLB P06746 2/20 0.44
HTT P42858 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
HDAC3 O15379 2/20 0.44
HDAC11 Q96DB2 2/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4725768 0.88 MAPT (0.51) CRHBPCRHR2ALDH1A1MAPTKMT2A
SCHEMBL4729811 0.87 ALDH1A1 (0.50) ALDH1A1MEN1MAPTKMT2ACYP3A4
SCHEMBL4727610 0.87 UCHL1 (0.51) ALDH1A1MEN1MAPTKMT2ALMNA
SCHEMBL4728012 0.87 CES1 (0.48) ALDH1A1MAPTLMNASMN1; SMN2HTT
SCHEMBL4726510 0.87 CNR2 (0.49) ALDH1A1MEN1MAPTKMT2ALMNA
SCHEMBL4728036 0.85 DRD3 (0.42) ALDH1A1MEN1MAPTKMT2ALMNA
SCHEMBL4730511 0.85 FFAR1 (0.44) ALDH1A1MEN1MAPTKMT2ACYP1A2
SCHEMBL4725454 0.85 DRD3 (0.57) ALDH1A1MEN1MAPTKMT2ALMNA
SCHEMBL4725306 0.84 POLB (0.54) CRHBPCRHR2ALDH1A1MEN1MAPT
SCHEMBL4728980 0.84 DRD3 (0.42) ALDH1A1MEN1MAPTKMT2ALMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008026046-A1 MORPHOLINE D3 DOPAMINE ANTAGONISTS PFIZER PRODUCTS INC. (US) 2008-03-06 WO claimed
WO-2008026046-A1 MORPHOLINE D3 DOPAMINE ANTAGONISTS PFIZER PRODUCTS INC. (US) 2008-03-06 WO disclosed